REMARK Name = BDB027191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.259 -0.267 -1.197 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.150 1.070 -1.383 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.934 1.635 -1.189 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.229 0.949 -0.829 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.110 -0.440 -0.678 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.149 -1.042 -0.864 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.229 -1.868 -1.752 0.00 0.00 +0.123 A ATOM 8 C LIG 1 5.387 -2.410 -0.786 0.00 0.00 +0.084 A ATOM 9 C LIG 1 4.101 -1.891 -0.613 0.00 0.00 +0.136 A ATOM 10 F LIG 1 3.339 -2.443 0.347 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.609 -0.827 -1.385 0.00 0.00 +0.036 A ATOM 12 C LIG 1 4.481 -0.289 -2.346 0.00 0.00 +0.016 A ATOM 13 C LIG 1 5.768 -0.807 -2.531 0.00 0.00 +0.046 A BRANCH 7 15 ATOM 14 C LIG 1 8.074 -3.242 -1.156 0.00 0.00 +0.277 C ATOM 15 O LIG 1 7.503 -2.275 -2.030 0.00 0.00 -0.495 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.466 1.581 -0.617 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -1.909 2.451 -1.717 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -3.432 2.739 -1.581 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -3.889 2.704 -0.111 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -2.771 3.132 0.834 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -1.537 2.227 0.714 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 -3.793 4.034 -2.185 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -3.458 4.076 -3.147 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -3.335 4.793 -1.681 0.00 0.00 +0.119 HD ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 5 25 ATOM 25 C LIG 1 -1.301 -1.308 -0.344 0.00 0.00 +0.161 C BRANCH 25 26 ATOM 26 N LIG 1 -1.593 -1.366 1.077 0.00 0.00 -0.310 N ATOM 27 C LIG 1 -2.840 -1.275 1.636 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -2.634 -1.440 2.997 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -3.771 -1.374 3.820 0.00 0.00 +0.147 A ATOM 30 N LIG 1 -4.978 -1.175 3.243 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 -5.028 -1.027 1.901 0.00 0.00 +0.225 A ATOM 32 N LIG 1 -1.300 -1.664 3.270 0.00 0.00 -0.231 NA ATOM 33 N LIG 1 -4.014 -1.069 1.014 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 -0.706 -1.613 2.093 0.00 0.00 +0.202 A BRANCH 29 35 ATOM 35 N LIG 1 -3.722 -1.529 5.201 0.00 0.00 -0.341 N ATOM 36 H LIG 1 -4.610 -1.830 5.580 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -2.889 -2.014 5.515 0.00 0.00 +0.144 HD ENDBRANCH 29 35 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7